[2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate

C10H13NO5 — CID 67310208

IUPAC[2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate
SMILESCC(C)(C)NC(=O)c1occc1OC(=O)O
InChIInChI=1S/C10H13NO5/c1-10(2,3)11-8(12)7-6(4-5-15-7)16-9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyQKDOPQZJWZVGEM-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.86
Rot. Bonds2

About [2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate

[2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate (PubChem CID 67310208) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is [2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate
PubChem CID67310208
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name[2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate
SMILESCC(C)(C)NC(=O)c1occc1OC(=O)O
InChIInChI=1S/C10H13NO5/c1-10(2,3)11-8(12)7-6(4-5-15-7)16-9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyQKDOPQZJWZVGEM-UHFFFAOYSA-N
XLogP1.86
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide
CID 154881679
N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide
CID 110834006
3-[[[3-(tert-butylamino)-3-oxopropyl]amino]methyl]furan-2-carboxylic acid
CID 103263112
[1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
CID 24520578
N-tert-butyl-4-(125I)iodo(125I)benzamide
CID 177457231
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-tert-butyl-6-oxopyran-3-carboxamide
CID 110697500
4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid
CID 10892724
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
CID 114327520
3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid
CID 103261384

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate?
The IUPAC name of [2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate (CID 67310208) is [2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate.
What is the SMILES notation for [2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate?
The canonical SMILES for [2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate is CC(C)(C)NC(=O)c1occc1OC(=O)O.
What is the InChIKey of [2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate?
The InChIKey is QKDOPQZJWZVGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-10(2,3)11-8(12)7-6(4-5-15-7)16-9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14).
What are the key properties of [2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate?
[2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate has a molecular weight of 227.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate is sourced from PubChem (CID 67310208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).